unint_dat = {
"TYR": {	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"OH":{'torsion': 180.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.36, 'charge': -0.368, 'type': 'OH'},
	"loopList":[['CG', 'CD2']],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.4, 'charge': -0.035, 'type': 'CD'},
	"NAMRES":'TYROSINE',
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'OH', 'HOH', 'CE2', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"HOH":{'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 113.0, 'blen': 0.96, 'charge': 0.339, 'type': 'HO'},
	"CE1":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': 0.1, 'type': 'CD'},
	"CD1":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4, 'charge': -0.035, 'type': 'CD'},
	"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.4, 'charge': -0.121, 'type': 'C'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.51, 'charge': -0.001, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.3, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.022, 'type': 'C2'},
	"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': 0.1, 'type': 'CD'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 18, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
},
"ASN": {	"ND2":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'OD1', 'ND2', 'HND1', 'HND2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"OD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HND1', 'ND2', 'HND2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.272, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.003, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"HND1":{'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 13, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"HND2":{'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 12, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 15, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'ASPARAGINE',
},
"CYS": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'SG', 'HSG', 'LP1', 'LP2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': '3', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 116.0, 'blen': 1.81, 'charge': 0.827, 'type': 'SH'},
	"LP1":{'torsion': 80.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"LP2":{'torsion': 280.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.201, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.1, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"HSG":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 96.0, 'blen': 1.33, 'charge': 0.135, 'type': 'HS'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'CYSTEINE',
},
"ARG": {	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['NE', 'NH1', 'CZ', 'NH2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"HN12":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 15, 'I': 17, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3615, 'type': 'H3'},
	"INTX,KFORM":['INT', '1'],
	"NE":{'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 111.0, 'blen': 1.48, 'charge': -0.493, 'type': 'N2'},
	"HN11":{'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3615, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"HN22":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 18, 'I': 20, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3615, 'type': 'H3'},
	"HN21":{'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 18, 'I': 19, 'angle': 119.8, 'blen': 1.01, 'charge': 0.3615, 'type': 'H3'},
	"NAMRES":'ARGININE',
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD', 'NE', 'HNE', 'CZ', 'NH1', 'HN11', 'HN12', 'NH2', 'HN21', 'HN22', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"NH2":{'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 18, 'angle': 118.0, 'blen': 1.33, 'charge': -0.6345, 'type': 'N2'},
	"NH1":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 122.0, 'blen': 1.33, 'charge': -0.6345, 'type': 'N2'},
	"CZ":{'torsion': 180.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 123.0, 'blen': 1.33, 'charge': 0.813, 'type': 'CA'},
	"CD":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.111, 'type': 'C2'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.058, 'type': 'C2'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.292, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.049, 'type': 'C2'},
	"HNE":{'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 118.5, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
},
"LEU": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD1', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CD1', 'CG', 'CB', 'CD2']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CD2":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 109.47, 'blen': 1.525, 'charge': -0.014, 'type': 'C3'},
	"CD1":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.014, 'type': 'C3'},
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.054, 'type': 'CH'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.259, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.016, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'LEUCINE',
},
"HID": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"NE2":{'torsion': 0.0, 'tree': 'S', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.0, 'blen': 1.31, 'charge': -0.527, 'type': 'NB'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 122.0, 'blen': 1.39, 'charge': -0.444, 'type': 'NA'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CE1":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.384, 'type': 'CP'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 115.0, 'blen': 1.51, 'charge': 0.089, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.274, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.06, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"loopList":[['CG', 'CD2']],
	"HND":{'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 126.0, 'blen': 1.01, 'charge': 0.32, 'type': 'H'},
	"CUT":['0.00000'],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 110.0, 'blen': 1.36, 'charge': 0.145, 'type': 'CF'},
	"NAMRES":'HISTIDINE DELTAH',
},
"HIE": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'ND1', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 109.0, 'blen': 1.31, 'charge': -0.444, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 122.0, 'blen': 1.39, 'charge': -0.527, 'type': 'NB'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CE1":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 108.0, 'blen': 1.32, 'charge': 0.384, 'type': 'CP'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 115.0, 'blen': 1.51, 'charge': 0.112, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.274, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.06, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"loopList":[['CG', 'CD2']],
	"HNE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 125.0, 'blen': 1.01, 'charge': 0.32, 'type': 'H'},
	"CUT":['0.00000'],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 110.0, 'blen': 1.36, 'charge': 0.122, 'type': 'CG'},
	"NAMRES":'HISTIDINE EPSILONH',
},
"MET": {	"SD":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 110.0, 'blen': 1.81, 'charge': 0.737, 'type': 'S'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'SD', 'CE', 'LP1', 'LP2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"LP1":{'torsion': 80.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"LP2":{'torsion': 280.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 14, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.09, 'type': 'C2'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.192, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.037, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CE":{'torsion': 180.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 100.0, 'blen': 1.78, 'charge': 0.007, 'type': 'C3'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 15, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'METHIONINE',
},
"IDBGEN,IREST,ITYPF":['1', '1', '100'],
"ALA": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.27, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.031, 'type': 'C3'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'ALANINE',
},
"PHE": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD1', 'CE1', 'CZ', 'CE2', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CE1":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': 0.004, 'type': 'CD'},
	"CD1":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 120.0, 'blen': 1.4, 'charge': -0.011, 'type': 'CD'},
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"CZ":{'torsion': 0.0, 'tree': 'S', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.4, 'charge': -0.003, 'type': 'CD'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 115.0, 'blen': 1.51, 'charge': 0.011, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.269, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.038, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': 0.004, 'type': 'CD'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.4, 'charge': -0.011, 'type': 'CD'},
	"NAMRES":'PHENYLALANINE',
},
"CYX": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'SG', 'LP1', 'LP2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 116.0, 'blen': 1.81, 'charge': 0.824, 'type': 'S'},
	"LP1":{'torsion': 80.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"LP2":{'torsion': 280.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.143, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.143, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'CYSTINE(S-S BRIDGE)',
},
"PRO": {	"atNameList":['N', 'HN2', 'HN3', 'CD', 'CG', 'CB', 'CA', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.451, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['-M', 'CA', 'N', 'CD']],
	"HN2":{'torsion': 90.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 58.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -90.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 58.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.01, 'charge': -0.161, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 200.1, 'tree': 'S', 'NC': 3, 'NB': 4, 'NA': 7, 'I': 8, 'angle': 103.2, 'blen': 1.5, 'charge': -0.011, 'type': 'C2'},
	"CB":{'torsion': 338.3, 'tree': 'E', 'NC': 4, 'NB': 7, 'NA': 8, 'I': 9, 'angle': 106.0, 'blen': 1.51, 'charge': 0.0, 'type': 'C2'},
	"CD":{'torsion': 356.1, 'tree': 'S', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 7, 'angle': 126.1, 'blen': 1.458, 'charge': 0.191, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CA":{'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 10, 'angle': 120.6, 'blen': 1.451, 'charge': 0.212, 'type': 'CH'},
	"loopList":[['CB', 'CA']],
	"CUT":['0.00000'],
	"C":{'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 10, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.596, 'type': 'C'},
	"NAMRES":'PROLINE',
},
"LYS": {	"HNZ3":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 16, 'angle': 109.47, 'blen': 1.01, 'charge': 0.311, 'type': 'H3'},
	"NZ":{'torsion': 180.0, 'tree': '3', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 109.47, 'blen': 1.47, 'charge': -0.272, 'type': 'N3'},
	"HNZ1":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 109.47, 'blen': 1.01, 'charge': 0.311, 'type': 'H3'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD', 'CE', 'NZ', 'HNZ1', 'HNZ2', 'HNZ3', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CD":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.048, 'type': 'C2'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"HNZ2":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.47, 'blen': 1.01, 'charge': 0.311, 'type': 'H3'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.053, 'type': 'C2'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.282, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.039, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CE":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 1.525, 'charge': 0.218, 'type': 'C2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'LYSINE',
},
"NAMDBF":'db4.dat',
"SER": {	"OG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'OG', 'HOG', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.347, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.194, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"HOG":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
	"NAMRES":'SERINE',
},
"ASP": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'OD1', 'OD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"OD1":{'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 117.2, 'blen': 1.26, 'charge': -0.706, 'type': 'O2'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CB', 'OD1', 'CG', 'OD2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.527, 'charge': 0.62, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.301, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': -0.208, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"OD2":{'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'ASPARTIC ACID',
},
"GLN": {	"OE1":{'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
	"HNE2":{'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD', 'OE1', 'NE2', 'HNE1', 'HNE2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"NE2":{'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HNE1', 'NE2', 'HNE2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.043, 'type': 'C2'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.265, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.053, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"HNE1":{'torsion': 0.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'GLUTAMINE',
},
"GLU": {	"OE1":{'torsion': 90.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.706, 'type': 'O2'},
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD', 'OE1', 'OE2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 109.47, 'blen': 1.527, 'charge': 0.62, 'type': 'C'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CG', 'OE1', 'CD', 'OE2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.51, 'charge': -0.208, 'type': 'C2'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.301, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.0, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"OE2":{'torsion': 270.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'GLUTAMIC ACID',
},
"TRP": {	"NE1":{'torsion': 180.0, 'tree': 'B', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 107.0, 'blen': 1.43, 'charge': -0.33, 'type': 'NA'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"CH2":{'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 15, 'I': 16, 'angle': 116.0, 'blen': 1.39, 'charge': 0.034, 'type': 'CD'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"INTX,KFORM":['INT', '1'],
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.02, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"loopList":[['CG', 'CD2'], ['CE2', 'CD2']],
	"NAMRES":'TRYPTOPHAN',
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'CD1', 'NE1', 'HNE', 'CE2', 'CZ2', 'CH2', 'CZ3', 'CE3', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 117.0, 'blen': 1.4, 'charge': -0.275, 'type': 'CB'},
	"CD1":{'torsion': 180.0, 'tree': 'S', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 127.0, 'blen': 1.34, 'charge': 0.117, 'type': 'CG'},
	"CE3":{'torsion': 0.0, 'tree': 'S', 'NC': 15, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 122.0, 'blen': 1.41, 'charge': 0.145, 'type': 'CD'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 115.0, 'blen': 1.51, 'charge': 0.046, 'type': 'C*'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.303, 'type': 'CH'},
	"CZ3":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 15, 'NA': 16, 'I': 17, 'angle': 121.0, 'blen': 1.35, 'charge': -0.082, 'type': 'CD'},
	"CZ2":{'torsion': 180.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 128.0, 'blen': 1.4, 'charge': 0.029, 'type': 'CD'},
	"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 109.0, 'blen': 1.31, 'charge': 0.0, 'type': 'CN'},
	"HNE":{'torsion': 180.0, 'tree': 'E', 'NC': 10, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 125.5, 'blen': 1.01, 'charge': 0.294, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 20, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
},
"GLY": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.301, 'type': 'C2'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 110.4, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'GLYCINE',
},
"THR": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG2', 'OG1', 'HOG', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CG2', 'CB', 'CA', 'OG1']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"OG1":{'torsion': 60.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
	"CG2":{'torsion': 300.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.007, 'type': 'C3'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.323, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.211, 'type': 'CH'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"HOG":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
	"NAMRES":'THREONINE',
},
"HIP": {	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.0, 'blen': 1.31, 'charge': -0.686, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 9, 'NA': 10, 'I': 11, 'angle': 122.0, 'blen': 1.39, 'charge': -0.613, 'type': 'NA'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"loopList":[['CG', 'CD2']],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 110.0, 'blen': 1.36, 'charge': 0.353, 'type': 'CG'},
	"NAMRES":'HISTIDINE PLUS',
	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG', 'ND1', 'HND', 'CE1', 'NE2', 'HNE', 'CD2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"CE1":{'torsion': 180.0, 'tree': 'S', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.719, 'type': 'CP'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 115.0, 'blen': 1.51, 'charge': 0.103, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.25, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.211, 'type': 'C2'},
	"HND":{'torsion': 0.0, 'tree': 'E', 'NC': 9, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 126.0, 'blen': 1.01, 'charge': 0.478, 'type': 'H'},
	"HNE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 125.0, 'blen': 1.01, 'charge': 0.486, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
},
"VAL": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG1', 'CG2', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"CG1":{'torsion': 60.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.006, 'type': 'C3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CG1', 'CB', 'CA', 'CG2']],
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 180.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.006, 'type': 'C3'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.256, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 111.1, 'blen': 1.525, 'charge': 0.033, 'type': 'CH'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'VALINE',
},
"ILE": {	"atNameList":['HN1', 'N', 'HN2', 'HN3', 'CA', 'CB', 'CG2', 'CG1', 'CD1', 'C', 'O'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
	"impropTors":[['CA', '+M', 'C', 'O'], ['CB', 'CA', 'N', 'C'], ['CG2', 'CB', 'CA', 'CG1']],
	"CG1":{'torsion': 180.0, 'tree': 'S', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': 0.017, 'type': 'C2'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.5, 'type': 'O'},
	"CD1":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 9, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 1.525, 'charge': -0.001, 'type': 'C3'},
	"HN2":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN3":{'torsion': -60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 111.8, 'blen': 1.01, 'charge': 0.312, 'type': 'H3'},
	"HN1":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0, 'charge': 0.312, 'type': 'H3'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.01, 'charge': -0.263, 'type': 'N3'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 60.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 9, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': 0.001, 'type': 'C3'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 121.9, 'blen': 1.449, 'charge': 0.254, 'type': 'CH'},
	"CB":{'torsion': 60.0, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.47, 'blen': 1.525, 'charge': 0.03, 'type': 'CH'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'NOMI', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.526, 'type': 'C'},
	"NAMRES":'ISOLEUCINE',
},
"filename":'unint.in',
}